2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine

C15H10F3N7 — CID 118660953

IUPAC2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESNc1nc(C(F)(F)F)nn1-c1nc2cnccc2n1-c1ccccc1
InChIInChI=1S/C15H10F3N7/c16-15(17,18)12-22-13(19)25(23-12)14-21-10-8-20-7-6-11(10)24(14)9-4-2-1-3-5-9/h1-8H,(H2,19,22,23)
InChIKeyMPJUBYCKTKZOJT-UHFFFAOYSA-N
MW345.29 g/mol
LogP2.60
Rot. Bonds2

About 2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine

2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine (PubChem CID 118660953) has the molecular formula C15H10F3N7 and a molecular weight of 345.29 g/mol. Its IUPAC name is 2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine
PubChem CID118660953
Molecular FormulaC15H10F3N7
Molecular Weight345.29 g/mol
Exact Mass345.09
IUPAC Name2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESNc1nc(C(F)(F)F)nn1-c1nc2cnccc2n1-c1ccccc1
InChIInChI=1S/C15H10F3N7/c16-15(17,18)12-22-13(19)25(23-12)14-21-10-8-20-7-6-11(10)24(14)9-4-2-1-3-5-9/h1-8H,(H2,19,22,23)
InChIKeyMPJUBYCKTKZOJT-UHFFFAOYSA-N
XLogP2.60
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine (CID 118660953) is 2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine is Nc1nc(C(F)(F)F)nn1-c1nc2cnccc2n1-c1ccccc1.
What is the InChIKey of 2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The InChIKey is MPJUBYCKTKZOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7/c16-15(17,18)12-22-13(19)25(23-12)14-21-10-8-20-7-6-11(10)24(14)9-4-2-1-3-5-9/h1-8H,(H2,19,22,23).
What are the key properties of 2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine has a molecular weight of 345.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 118660953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).